(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid

C24H49N5O15 — CID 141304268

About (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid (PubChem CID 141304268) has the molecular formula C24H49N5O15 and a molecular weight of 647.68 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid
• PubChem CID: 141304268
• Molecular Formula: C24H49N5O15
• Molecular Weight: 647.68 g/mol
• Exact Mass: 647.32
• IUPAC Name: (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid
• SMILES: NC1C(O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)C2N)C1O.NCCCCC(N)C(=O)O
• InChI: InChI=1S/C18H35N3O13.C6H14N2O2/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17;7-4-2-1-3-5(8)6(9)10/h4-18,22-29H,1-3,19-21H2;5H,1-4,7-8H2,(H,9,10)/t4-,5-,6-,7?,8-,9?,10-,11-,12?,13-,14?,15?,16?,17+,18+;/m1./s1
• InChIKey: VRLUWEYVWRYTPS-XLMOAAIGSA-N
• XLogP: -8.15
• TPSA: 375.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	647.68
LogP ≤ 5	-8.15
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid?

The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid (CID 141304268) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid.

What is the SMILES notation for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid?

The canonical SMILES for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid is NC1C(O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)C2N)C1O.NCCCCC(N)C(=O)O.

What is the InChIKey of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid?

The InChIKey is VRLUWEYVWRYTPS-XLMOAAIGSA-N. The full InChI is InChI=1S/C18H35N3O13.C6H14N2O2/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17;7-4-2-1-3-5(8)6(9)10/h4-18,22-29H,1-3,19-21H2;5H,1-4,7-8H2,(H,9,10)/t4-,5-,6-,7?,8-,9?,10-,11-,12?,13-,14?,15?,16?,17+,18+;/m1./s1.

What are the key properties of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid?

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid has a molecular weight of 647.68 g/mol, XLogP of -8.15, 12 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,6S)-5-amino-6-[(2R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;2,6-diaminohexanoic acid is sourced from PubChem (CID 141304268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).